SCHEMBL8934706

SCHEMBL8934706

CCCCCc1ccc(C(=O)Nc2cccc(C)c2C)cc1NC[C@@H](N)CS.N[C@@H](CS)CNc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 4/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.35
HTT P42858 1/20 0.35
PPARA Q07869 1/20 0.35
GPR35 Q9HC97 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8934705 1.00 ALDH1A1 (0.40) ALDH1A1FNTAFNTBPGGT1BKCNK3
SCHEMBL7996716 0.91 ALDH1A1 (0.47) ALDH1A1FNTAFNTBKMT2ACYP1A2
SCHEMBL7996714 0.91 ALDH1A1 (0.47) ALDH1A1FNTAFNTBKMT2ACYP1A2
Hydrochloric Acid SCHEMBL7995505 0.90 ALDH1A1 (0.46) ALDH1A1FNTAFNTBKMT2ACYP1A2
Hydrochloric Acid SCHEMBL7995503 0.90 ALDH1A1 (0.46) ALDH1A1FNTAFNTBKMT2ACYP1A2
SCHEMBL7993171 0.83 FNTA (0.48) FNTAFNTBPGGT1BKMT2AMAPT
SCHEMBL7995119 0.83 FNTA (0.48) FNTAFNTBPGGT1BKMT2AMAPT
SCHEMBL7993175 0.83 FNTA (0.48) FNTAFNTBPGGT1BKMT2AMAPT
SCHEMBL8000774 0.82 KMT2A (0.47) ALDH1A1FNTAFNTBKCNK3KCNK9
SCHEMBL8000772 0.82 KMT2A (0.47) ALDH1A1FNTAFNTBKCNK3KCNK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed